Geometry & MOs

Info

ID:	351210
PubChem CID:	127279768
Reduced:	ON3C10H15 (2)
Stoich.:	AB3C10D15 (2)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-18.89
Dipole, Da:	0.95
IP(EA), eV:	-8.8(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazol-1-yl)-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CC2CCCN(C2)C(=O)C3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations